2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C19H21F3N3O3S+ MolecularWeight: 428.44855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20F3N3O3S/c20-19(21,22)15-5-4-6-16(13-15)23-18(26)14-24-9-11-25(12-10-24)29(27,28)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,23,26)/p+1